VONOPRAZAN

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Synonyms:	TAK-438 Takecab Vocinti Vonoprazan
Status:	Approved
Entry Type:	Small molecule
Molecule Category:	UNKNOWN
ATC:	A02BC08
UNII:	1R5L3J156G

Structure


InChI Key	BFDBKMOZYNOTPK-UHFFFAOYSA-N
Smile	CNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccnc2)c1
InChI	InChI=1S/C17H16FN3O2S/c1-19-10-13-9-17(15-6-2-3-7-16(15)18)21(12-13)24(22,23)14-5-4-8-20-11-14/h2-9,11-12,19H,10H2,1H3

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C17H16FN3O2S
Molecular Weight	345.4
AlogP	2.65
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	5.0
Polar Surface Area	63.99
Molecular species	BASE
Aromatic Rings	3.0
Heavy Atoms	24.0

Indications

Mesh Heading	Maximum Phase	Mesh ID	Reference
Helicobacter Infections	3	D016481	ClinicalTrials

Related Entries

Scaffolds

Target Level :

Level 3

Level 4

Level 5

Level 6

Extend network:

Indication

Mechanism of Action

Primary Target

Target Level

Cross References

Resources	Reference
CAS NUMBER	881681-00-1
ChEBI	136048
ChEMBL	CHEMBL2079130
DrugBank	DB11739
DrugCentral	4993
EPA CompTox	DTXSID20236869
FDA SRS	1R5L3J156G
PDB	HKT
PubChem	15981397
SureChEMBL	SCHEMBL194487
ZINC	ZINC000034842823

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